SCHEMBL9909257

SCHEMBL9909257

COc1cc(C#N)ccc1-c1c(C)c(C)nc2ccc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
YWHAG P61981 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PLA2G4A P47712 1/20 0.38
LTB4R Q15722 1/20 0.38
HPSE Q9Y251 1/20 0.38
ALK Q9UM73 1/20 0.38
CFB P00751 1/20 0.38
HTR5A P47898 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9909238 0.89 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EUSP2HTT
SCHEMBL9909247 0.87 HTR5A (0.56) ALDH1A1HPGDKDM4ECFBHTR5A
SCHEMBL9907622 0.87 TDP1 (0.45) SLC22A12TDP1ALDH1A1HPGDKDM4E
SCHEMBL9925477 0.84 HTR5A (0.46) ALDH1A1HPGDKDM4ECFBHTR5A
SCHEMBL9909265 0.81 PDE5A (0.42) SLC22A12HTR5AMRGPRX4CYP11B1CYP11B2
SCHEMBL10064211 0.79 SLC22A12 (0.44) SLC22A12ALDH1A1HPGDKDM4EHTT
SCHEMBL16509491 0.78 SLC22A12 (0.43) SLC22A12KDM4EHTTPLA2G4ALTB4R
SCHEMBL9909156 0.78 SCN9A (0.49) SLC22A12PLA2G4ALTB4RCYP11B1CYP11B2
SCHEMBL9907619 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL16502436 0.76 SLC22A12 (0.47) SLC22A12MEN1KMT2APLA2G4ALTB4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SLC22A12 1751/4885TDP1 964/4885ALDH1A1 1799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.